N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-butoxypropanamide

C19H24N2O4S — CID 48651909

IUPACN-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-butoxypropanamide
SMILESCCCCOC(C)C(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O
InChIInChI=1S/C19H24N2O4S/c1-3-4-12-25-14(2)17(22)20-10-11-21-18(23)16(26-19(21)24)13-15-8-6-5-7-9-15/h5-9,13-14H,3-4,10-12H2,1-2H3,(H,20,22)/b16-13+
InChIKeyRDYGAMRKFVOKJB-DTQAZKPQSA-N
MW376.48 g/mol
LogP3.04
Rot. Bonds9

About N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-butoxypropanamide

N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-butoxypropanamide (PubChem CID 48651909) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-butoxypropanamide.

Molecular Properties

Compound NameN-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-butoxypropanamide
PubChem CID48651909
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-butoxypropanamide
SMILESCCCCOC(C)C(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O
InChIInChI=1S/C19H24N2O4S/c1-3-4-12-25-14(2)17(22)20-10-11-21-18(23)16(26-19(21)24)13-15-8-6-5-7-9-15/h5-9,13-14H,3-4,10-12H2,1-2H3,(H,20,22)/b16-13+
InChIKeyRDYGAMRKFVOKJB-DTQAZKPQSA-N
XLogP3.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-phenoxypropanamide
CID 6214435
N-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pentanamide
CID 4824143
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-methylpentanamide
CID 26186500
N-[(2S)-1-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 71889037
N-[1-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 5138945
(2S)-N-[2-[(5Z)-5-[(4-methylsulfanylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-phenoxypropanamide
CID 2124429
N-[1-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4797819
N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-diphenylacetamide
CID 6255314
N-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylacetamide
CID 3422835
N-[(2S)-1-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-1-oxopropan-2-yl]-2-chlorobenzamide
CID 24539156
(2S)-N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 93011104
N-[(2S)-1-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 55944182

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-butoxypropanamide?
The IUPAC name of N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-butoxypropanamide (CID 48651909) is N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-butoxypropanamide.
What is the SMILES notation for N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-butoxypropanamide?
The canonical SMILES for N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-butoxypropanamide is CCCCOC(C)C(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O.
What is the InChIKey of N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-butoxypropanamide?
The InChIKey is RDYGAMRKFVOKJB-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-3-4-12-25-14(2)17(22)20-10-11-21-18(23)16(26-19(21)24)13-15-8-6-5-7-9-15/h5-9,13-14H,3-4,10-12H2,1-2H3,(H,20,22)/b16-13+.
What are the key properties of N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-butoxypropanamide?
N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-butoxypropanamide has a molecular weight of 376.48 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-butoxypropanamide is sourced from PubChem (CID 48651909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).